4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine

C26H31FN6OS — CID 68573915

IUPAC4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1N1C=C(N2CCOCC2)c2sc(CN3CC4(CCNCC4)C3)nc2C1
InChIInChI=1S/C26H31FN6OS/c27-19-1-2-20-18(3-6-29-20)24(19)33-13-21-25(22(14-33)32-9-11-34-12-10-32)35-23(30-21)15-31-16-26(17-31)4-7-28-8-5-26/h1-3,6,14,28-29H,4-5,7-13,15-17H2
InChIKeyGUPPNVHMKIZXHW-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.60
Rot. Bonds4

About 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine

4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine (PubChem CID 68573915) has the molecular formula C26H31FN6OS and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine
PubChem CID68573915
Molecular FormulaC26H31FN6OS
Molecular Weight494.64 g/mol
Exact Mass494.23
IUPAC Name4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1N1C=C(N2CCOCC2)c2sc(CN3CC4(CCNCC4)C3)nc2C1
InChIInChI=1S/C26H31FN6OS/c27-19-1-2-20-18(3-6-29-20)24(19)33-13-21-25(22(14-33)32-9-11-34-12-10-32)35-23(30-21)15-31-16-26(17-31)4-7-28-8-5-26/h1-3,6,14,28-29H,4-5,7-13,15-17H2
InChIKeyGUPPNVHMKIZXHW-UHFFFAOYSA-N
XLogP3.60
TPSA59.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine with MolForge

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Related Compounds

1-(2-fluorophenyl)-2-{[2-(4-morpholinyl)-1,3-thiazol-5-yl]methyl}-2,3,4,9-tetrahydro-1H-beta-carboline
CID 45220468
4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 25127361
4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 25127362
4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 58234943
4-[2-[azetidin-2-yl(piperidin-1-yl)methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 66937716
4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]morpholine
CID 66938001
4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-5-fluoro-1H-indol-7-yl]morpholine
CID 67499105
4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine
CID 67500099
4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine
CID 68570249
N-[1-[7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]ethenyl]oxan-4-amine
CID 166944140
5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-[1-(3-fluoropropyl)azetidin-3-yl]oxy-1,3-thiazole
CID 170950706
5-(azetidin-3-yloxy)-2-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-1,3-thiazole
CID 170950734

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine?
The IUPAC name of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine (CID 68573915) is 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine is Fc1ccc2[nH]ccc2c1N1C=C(N2CCOCC2)c2sc(CN3CC4(CCNCC4)C3)nc2C1.
What is the InChIKey of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine?
The InChIKey is GUPPNVHMKIZXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6OS/c27-19-1-2-20-18(3-6-29-20)24(19)33-13-21-25(22(14-33)32-9-11-34-12-10-32)35-23(30-21)15-31-16-26(17-31)4-7-28-8-5-26/h1-3,6,14,28-29H,4-5,7-13,15-17H2.
What are the key properties of 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine?
4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine has a molecular weight of 494.64 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine is sourced from PubChem (CID 68573915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).